#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 3.39 -0.79 0.03 0.04 -1.26 -4.64 135.00 131.77 2kfs s PRO 2 Ca 0.00 0.42 -0.26 0.00 0.04 0.00 0.00 61.00 61.21 2kfs s PRO 2 Cb 0.00 -4.08 0.04 0.00 0.04 0.00 0.00 34.50 30.50 2kfs s PRO 2 CO 0.00 -1.83 1.28 0.20 0.04 0.00 0.00 177.00 176.70 2kfs s GLY 3 N 3.91 1.01 0.13 0.56 0.00 -1.16 -4.86 107.32 106.91 2kfs s GLY 3 Ca 0.50 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.31 2kfs s GLY 3 CO 0.26 2.60 1.12 -1.60 0.00 0.00 0.00 173.10 175.48 2kfs s ARG 4 N 5.41 4.54 -0.07 2.90 3.52 -1.26 -4.66 118.95 129.32 2kfs s ARG 4 Ca 0.36 1.71 -0.03 0.00 -0.13 0.00 0.00 55.73 57.64 2kfs s ARG 4 Cb -0.07 -3.31 0.04 0.00 -1.56 0.00 0.00 34.95 30.05 2kfs s ARG 4 CO 0.09 -0.04 0.16 0.00 -0.81 0.00 0.00 175.30 174.71 2kfs s ALA 5 N 0.24 -0.29 -0.47 6.12 0.00 -1.26 -5.10 121.76 121.00 2kfs s ALA 5 Ca 0.52 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 2kfs s ALA 5 Cb -0.29 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 2kfs s ALA 5 CO 0.33 -0.24 1.63 -1.25 0.00 0.00 0.00 175.76 176.23 2kfs s PRO 6 N 1.40 3.22 0.03 0.00 0.04 -1.26 -4.84 135.00 133.59 2kfs s PRO 6 Ca -0.07 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2kfs s PRO 6 Cb -0.12 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2kfs s PRO 6 CO -0.06 -2.01 0.01 0.41 0.04 0.00 0.00 177.00 175.39 2kfs n GLY 7 N 5.37 3.56 3.62 0.56 0.00 -1.26 -4.98 105.19 112.06 2kfs n GLY 7 Ca 0.18 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.19 -0.41 -0.18 1.61 0.15 -1.17 -3.27 113.70 109.24 2kfs s SER 8 Ca 0.01 -0.26 -0.29 0.00 0.70 0.00 0.00 55.95 56.10 2kfs s SER 8 Cb -0.00 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 2kfs s SER 8 CO 0.01 -1.08 1.25 -0.89 1.20 0.00 0.00 173.24 173.73 2kfs s THR 9 N -3.73 4.29 0.66 6.45 2.01 -1.11 -4.47 115.64 119.74 2kfs s THR 9 Ca 0.06 1.56 -0.16 0.00 0.31 0.00 0.00 61.69 63.45 2kfs s THR 9 Cb -0.03 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2kfs s THR 9 CO -0.04 -0.17 1.18 -0.76 -0.69 0.00 0.00 174.62 174.14 2kfs s LEU 10 N 3.56 3.46 0.69 4.42 1.43 -1.26 -4.98 118.68 126.00 2kfs s LEU 10 Ca 0.54 2.27 -0.16 0.00 -1.03 0.00 0.00 54.13 55.75 2kfs s LEU 10 Cb -0.21 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.45 2kfs s LEU 10 CO 0.15 -1.85 1.22 0.00 0.23 0.00 0.00 176.35 176.09 2kfs s ALA 11 N -1.94 2.23 -0.59 4.21 0.00 -1.26 -4.81 121.76 119.60 2kfs s ALA 11 Ca 0.73 0.94 -0.26 0.00 0.00 0.00 0.00 51.96 53.37 2kfs s ALA 11 Cb -0.27 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.27 2kfs s ALA 11 CO 0.40 -1.71 2.43 2.89 0.00 0.00 0.00 175.76 179.77 2kfs n ARG 12 N -2.41 0.86 -0.19 0.00 1.85 -1.26 -4.66 116.66 110.84 2kfs n ARG 12 Ca 0.14 -0.19 0.05 0.00 -1.00 0.00 0.00 57.85 56.85 2kfs n ARG 12 Cb 0.50 -3.34 0.07 0.00 -1.05 0.00 0.00 32.46 28.63 2kfs n ARG 12 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2kfs n VAL 13 N 8.10 1.03 0.00 8.89 0.24 -1.26 -4.85 118.33 130.49 2kfs n VAL 13 Ca 0.41 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 2kfs n VAL 13 Cb 0.48 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2kfs n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kfs n GLY 14 N -0.76 1.73 3.75 7.63 0.00 -1.26 -5.06 105.19 111.21 2kfs n GLY 14 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2kfs n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 15 N -2.00 4.77 -0.07 1.61 0.01 -1.26 -4.78 113.70 111.98 2kfs s SER 15 Ca 0.00 2.23 0.05 0.00 1.31 0.00 0.00 55.95 59.54 2kfs s SER 15 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2kfs s SER 15 CO 0.00 -1.87 -0.24 -0.63 0.41 0.00 0.00 173.24 170.91 2kfs s ILE 16 N -2.03 2.03 0.30 1.44 1.09 -1.26 -5.07 121.20 117.70 2kfs s ILE 16 Ca 0.72 -1.04 -0.30 0.00 -1.10 0.00 0.00 60.65 58.94 2kfs s ILE 16 Cb -0.26 -1.73 -0.11 0.00 -1.06 0.00 0.00 42.46 39.30 2kfs s ILE 16 CO 0.41 0.56 1.52 -2.84 -0.10 0.00 0.00 174.94 174.49 2kfs s PRO 17 N 0.00 4.17 -0.07 2.79 0.02 -1.26 -5.00 135.00 135.66 2kfs s PRO 17 Ca -0.08 2.48 -0.02 0.00 0.02 0.00 0.00 61.00 63.40 2kfs s PRO 17 Cb -0.15 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 2kfs s PRO 17 CO 0.05 -0.53 0.03 0.00 -0.33 0.00 0.00 177.00 176.21 2kfs s ALA 18 N -0.26 3.38 1.00 -1.55 0.00 -1.26 -4.93 121.76 118.14 2kfs s ALA 18 Ca 0.60 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2kfs s ALA 18 Cb -0.46 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2kfs s ALA 18 CO 0.50 0.61 0.00 0.41 0.00 0.00 0.00 175.76 177.28 2kfs n GLY 19 N 1.90 -0.23 3.81 0.00 0.00 -1.08 -4.46 105.19 105.13 2kfs n GLY 19 Ca -0.17 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N -1.00 6.56 -0.47 1.61 2.15 -1.26 -0.70 116.67 123.56 2kfs s ASP 20 Ca 0.00 0.66 -0.26 0.00 0.43 0.00 0.00 52.55 53.38 2kfs s ASP 20 Cb 0.00 -2.18 -0.06 0.00 -0.30 0.00 0.00 42.92 40.38 2kfs s ASP 20 CO 0.00 0.26 2.31 1.51 -0.17 0.00 0.00 175.17 179.07 2kfs s ASP 21 N -0.47 4.69 0.16 -0.34 -4.77 -1.24 -4.76 116.67 109.93 2kfs s ASP 21 Ca 0.19 1.10 -0.11 0.00 -3.30 0.00 0.00 52.55 50.43 2kfs s ASP 21 Cb -0.14 -2.51 0.01 0.00 -1.09 0.00 0.00 42.92 39.19 2kfs s ASP 21 CO 0.07 -2.68 1.55 0.58 0.70 0.00 0.00 175.17 175.39 2kfs h VAL 22 N 7.51 1.27 -3.56 2.11 2.07 -1.94 -3.44 116.25 120.27 2kfs h VAL 22 Ca -0.27 -1.34 -0.46 0.00 0.82 0.00 0.00 66.70 65.46 2kfs h VAL 22 Cb 1.25 1.11 0.10 0.00 -1.52 0.00 0.00 31.29 32.23 2kfs h VAL 22 CO 1.14 0.46 0.26 -1.48 0.02 0.00 0.00 177.57 177.97 2kfs s LEU 23 N -9.13 2.81 0.20 2.57 0.05 -1.26 -5.05 118.68 108.87 2kfs s LEU 23 Ca -0.12 0.28 -0.30 0.00 0.05 0.00 0.00 54.13 54.05 2kfs s LEU 23 Cb 0.12 -2.73 -0.08 0.00 -2.05 0.00 0.00 46.19 41.45 2kfs s LEU 23 CO 0.86 -1.91 0.93 -0.62 -0.55 0.00 0.00 176.35 175.07 2kfs s ASP 24 N -4.64 7.59 0.64 1.48 2.15 -1.26 -4.93 116.67 117.69 2kfs s ASP 24 Ca 0.64 1.88 0.25 0.00 0.43 0.00 0.00 52.55 55.76 2kfs s ASP 24 Cb -0.08 -2.60 1.34 0.00 -0.30 0.00 0.00 42.92 41.28 2kfs s ASP 24 CO 0.47 0.10 1.76 -0.65 -0.17 0.00 0.00 175.17 176.67 2kfs h PRO 25 N 4.57 0.00 -0.28 4.34 0.11 -1.96 0.12 132.00 138.90 2kfs h PRO 25 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kfs h PRO 25 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kfs h PRO 25 CO 0.69 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.23 2kfs n ASP 26 N -3.06 2.54 -4.88 -2.05 8.00 -1.26 -4.90 116.55 110.94 2kfs n ASP 26 Ca 0.02 -1.86 -0.29 0.00 0.71 0.00 0.00 54.79 53.36 2kfs n ASP 26 Cb 0.59 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kfs s GLU 27 N -1.64 3.65 -0.62 -1.24 0.41 0.41 -4.75 118.70 114.92 2kfs s GLU 27 Ca 0.35 0.47 -0.38 0.00 -0.41 0.00 0.00 54.97 55.00 2kfs s GLU 27 Cb 0.20 -2.28 -0.18 0.00 -1.78 0.00 0.00 34.13 30.08 2kfs s GLU 27 CO 0.28 -0.26 2.33 -2.30 -0.49 0.00 0.00 175.26 174.82 2kfs n PRO 28 N -2.08 0.23 -4.09 0.39 -0.02 -1.26 -4.74 135.00 123.43 2kfs n PRO 28 Ca 0.03 0.05 -0.14 0.00 -2.02 0.00 0.00 63.50 61.42 2kfs n PRO 28 Cb 0.54 -1.76 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 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 7.43 0.58 0.30 3.45 -4.23 -1.26 -1.36 115.64 120.56 2kfs s THR 29 Ca 1.22 -0.98 0.10 0.00 -1.18 0.00 0.00 61.69 60.84 2kfs s THR 29 Cb -1.25 -0.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 2kfs s THR 29 CO 0.56 -0.29 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.99 2kfs s TYR 30 N -1.19 2.52 0.17 3.99 2.02 0.10 -2.99 117.35 121.96 2kfs s TYR 30 Ca -0.07 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 2kfs s TYR 30 Cb -0.09 -1.27 -0.05 0.00 -0.40 0.00 0.00 41.96 40.15 2kfs s TYR 30 CO 0.00 0.58 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.99 2kfs s ASP 31 N -3.65 1.70 0.17 2.29 1.11 -1.26 -0.44 116.67 116.59 2kfs s ASP 31 Ca 0.32 -1.08 -0.25 0.00 0.18 0.00 0.00 52.55 51.73 2kfs s ASP 31 Cb -0.03 0.01 0.05 0.00 1.07 0.00 0.00 42.92 44.03 2kfs s ASP 31 CO 0.18 -0.41 1.57 -0.07 1.18 0.00 0.00 175.17 177.63 2kfs h LEU 32 N 2.71 -1.42 -1.38 1.23 3.38 -1.88 0.29 115.31 118.23 2kfs h LEU 32 Ca -0.37 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2kfs h LEU 32 Cb 1.20 0.66 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 2kfs h LEU 32 CO 0.64 -0.33 0.25 1.55 0.09 0.00 0.00 178.44 180.63 2kfs h PRO 33 N -0.22 0.67 -0.22 1.13 0.13 -1.97 -1.52 132.00 130.00 2kfs h PRO 33 Ca 0.19 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 2kfs h PRO 33 Cb 0.56 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2kfs h PRO 33 CO -0.68 0.51 -0.47 -0.09 -0.23 0.00 0.00 178.00 177.04 2kfs h ARG 34 N 0.67 0.57 -0.30 0.86 9.65 -1.44 -0.81 114.38 123.58 2kfs h ARG 34 Ca 0.17 -0.32 -0.15 0.00 -1.10 0.00 0.00 59.98 58.58 2kfs h ARG 34 Cb 0.05 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2kfs h ARG 34 CO -0.03 0.92 -0.42 0.28 2.80 0.00 0.00 179.97 183.53 2kfs h VAL 35 N 0.46 1.29 -0.57 0.20 2.07 -0.13 -0.61 116.25 118.95 2kfs h VAL 35 Ca 0.03 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 2kfs h VAL 35 Cb 0.99 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2kfs h VAL 35 CO 0.09 0.52 0.35 0.00 0.02 0.00 0.00 177.57 178.55 2kfs h ALA 36 N 0.92 1.54 -0.38 1.67 0.00 -0.97 0.59 119.26 122.64 2kfs h ALA 36 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kfs h ALA 36 Cb 0.97 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2kfs h ALA 36 CO 0.09 0.41 0.14 0.93 0.00 0.00 0.00 179.25 180.82 2kfs h GLU 37 N 0.79 0.57 0.01 0.00 4.39 -0.72 1.00 114.58 120.62 2kfs h GLU 37 Ca 0.21 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2kfs h GLU 37 Cb -0.04 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2kfs h GLU 37 CO -0.04 0.55 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.29 2kfs h LEU 38 N 0.46 -0.01 0.00 1.33 3.38 -0.04 -3.16 115.31 117.28 2kfs h LEU 38 Ca 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2kfs h LEU 38 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kfs h LEU 38 CO -0.01 0.20 -0.15 -0.07 0.09 0.00 0.00 178.44 178.50 2kfs h LEU 39 N -0.22 0.00 1.04 1.67 3.38 -0.97 -3.48 115.31 116.73 2kfs h LEU 39 Ca -0.00 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2kfs h LEU 39 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2kfs h LEU 39 CO 0.00 0.00 -0.28 0.61 0.09 0.00 0.00 178.44 178.87 2kfs n GLY 40 N 1.16 -0.01 3.34 0.83 0.00 0.30 -5.03 105.19 105.77 2kfs n GLY 40 Ca 0.04 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.63 1.54 0.70 1.61 -7.23 -0.90 -5.04 120.40 108.44 2kfs s VAL 41 Ca 0.05 -2.15 -0.15 0.00 -1.81 0.00 0.00 61.98 57.92 2kfs s VAL 41 Cb -0.02 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2kfs s VAL 41 CO 0.07 -0.54 1.18 -2.16 -0.31 0.00 0.00 175.10 173.34 2kfs s PRO 42 N -3.70 2.41 0.34 4.82 0.04 -1.26 -4.54 135.00 133.11 2kfs s PRO 42 Ca 0.23 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.96 2kfs s PRO 42 Cb 0.01 -1.88 0.64 0.00 0.04 0.00 0.00 34.50 33.32 2kfs s PRO 42 CO 0.07 -1.60 1.98 0.28 0.04 0.00 0.00 177.00 177.76 2kfs h VAL 43 N -0.07 1.11 -0.32 -0.36 2.07 -1.93 -0.89 116.25 115.86 2kfs h VAL 43 Ca -0.48 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2kfs h VAL 43 Cb 1.28 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2kfs h VAL 43 CO 0.51 0.16 0.03 -1.28 0.02 0.00 0.00 177.57 177.01 2kfs h SER 44 N 0.87 0.44 0.03 0.57 0.87 -1.97 0.61 113.55 114.97 2kfs h SER 44 Ca 0.28 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 2kfs h SER 44 Cb 0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2kfs h SER 44 CO -0.08 0.48 -0.42 0.50 -0.53 0.00 0.00 176.83 176.79 2kfs h LYS 45 N 0.46 0.48 -0.64 2.24 3.64 -1.53 -0.03 116.57 121.19 2kfs h LYS 45 Ca 0.10 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2kfs h LYS 45 Cb 0.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2kfs h LYS 45 CO 0.00 0.82 0.25 0.28 -2.27 0.00 0.00 179.45 178.53 2kfs h VAL 46 N 0.40 1.24 -0.66 2.00 2.07 -0.91 -0.70 116.25 119.69 2kfs h VAL 46 Ca 0.03 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2kfs h VAL 46 Cb 0.90 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2kfs h VAL 46 CO 0.08 0.30 0.38 0.00 0.02 0.00 0.00 177.57 178.34 2kfs h ALA 47 N 1.10 1.42 -0.25 1.67 0.00 -0.37 0.28 119.26 123.11 2kfs h ALA 47 Ca 0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 47 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kfs h ALA 47 CO -0.02 0.49 -0.38 1.96 0.00 0.00 0.00 179.25 181.30 2kfs h GLN 48 N 0.91 0.57 -0.51 0.00 1.08 -0.32 0.71 115.11 117.55 2kfs h GLN 48 Ca 0.24 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2kfs h GLN 48 Cb -0.00 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2kfs h GLN 48 CO -0.04 0.86 0.16 1.96 -0.95 0.00 0.00 178.83 180.82 2kfs h GLN 49 N 0.48 0.80 -0.84 1.46 4.20 -0.25 -1.12 115.11 119.84 2kfs h GLN 49 Ca 0.05 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 2kfs h GLN 49 Cb 0.87 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 2kfs h GLN 49 CO 0.07 0.74 0.44 -0.07 -0.67 0.00 0.00 178.83 179.34 2kfs h LEU 50 N 0.70 1.06 -1.68 1.46 3.38 -0.68 0.99 115.31 120.54 2kfs h LEU 50 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2kfs h LEU 50 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2kfs h LEU 50 CO -0.00 0.88 0.03 0.03 0.09 0.00 0.00 178.44 179.46 2kfs h ARG 51 N 1.17 0.22 0.00 1.13 2.47 -0.32 -2.13 114.38 116.93 2kfs h ARG 51 Ca 0.29 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2kfs h ARG 51 Cb 0.07 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2kfs h ARG 51 CO -0.04 0.22 -0.32 0.39 0.56 0.00 0.00 179.97 180.78 2kfs n GLU 52 N -4.43 0.12 -2.07 0.04 1.02 -0.47 -4.91 120.64 109.93 2kfs n GLU 52 Ca -0.01 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 2kfs n GLU 52 Cb 0.14 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 1.43 0.19 0.15 0.62 0.00 -0.67 -4.91 105.19 102.00 2kfs n GLY 53 Ca 0.05 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.42 2kfs n GLY 53 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kfs h HIS 54 N 0.00 0.00 -3.14 1.61 6.17 -1.07 -3.40 115.15 115.32 2kfs h HIS 54 Ca -0.10 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 60.94 2kfs h HIS 54 Cb 1.07 0.00 -0.13 0.00 2.52 0.00 0.00 27.41 30.87 2kfs h HIS 54 CO 0.12 0.34 0.06 -1.17 0.71 0.00 0.00 177.93 177.99 2kfs s LEU 55 N -6.17 -0.08 0.16 0.26 2.96 -1.24 -4.21 118.68 110.37 2kfs s LEU 55 Ca 0.03 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2kfs s LEU 55 Cb 0.07 2.21 -0.04 0.00 0.50 0.00 0.00 46.19 48.93 2kfs s LEU 55 CO 0.74 -0.88 -0.13 0.68 -1.32 0.00 0.00 176.35 175.44 2kfs s VAL 56 N -3.60 1.40 0.04 1.68 -7.23 -1.26 -4.26 120.40 107.18 2kfs s VAL 56 Ca 0.01 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2kfs s VAL 56 Cb 0.00 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 2kfs s VAL 56 CO -0.11 -0.62 0.07 0.00 -0.31 0.00 0.00 175.10 174.13 2kfs s ALA 57 N -2.92 0.06 0.23 1.32 0.00 -1.26 -4.72 121.76 114.47 2kfs s ALA 57 Ca 0.17 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2kfs s ALA 57 Cb -0.00 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2kfs s ALA 57 CO 0.03 -0.34 0.00 0.14 0.00 0.00 0.00 175.76 175.60 2kfs s VAL 58 N -2.95 1.00 -0.16 0.00 -7.23 0.07 -2.64 120.40 108.49 2kfs s VAL 58 Ca -0.02 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 2kfs s VAL 58 Cb 0.01 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2kfs s VAL 58 CO -0.06 -0.31 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.69 2kfs s ARG 59 N -3.87 3.31 -0.26 4.82 3.52 0.12 -0.04 118.95 126.56 2kfs s ARG 59 Ca 0.29 -0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2kfs s ARG 59 Cb 0.06 -2.70 0.04 0.00 -1.56 0.00 0.00 34.95 30.78 2kfs s ARG 59 CO 0.09 0.05 -0.07 -0.98 -0.81 0.00 0.00 175.30 173.58 2kfs s ARG 60 N 0.78 2.67 0.00 5.12 1.70 0.11 -3.73 118.95 125.59 2kfs s ARG 60 Ca -0.05 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 2kfs s ARG 60 Cb -0.15 -2.98 0.00 0.00 -0.57 0.00 0.00 34.95 31.25 2kfs s ARG 60 CO 0.01 -0.46 0.00 0.00 -1.08 0.00 0.00 175.30 173.77 2kfs n ALA 61 N 4.62 0.00 0.00 7.88 0.00 -1.26 -0.64 120.51 131.11 2kfs n ALA 61 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kfs n ALA 61 Cb 0.46 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.75 0.98 3.79 0.00 0.00 -1.26 -4.94 105.19 104.50 2kfs n GLY 62 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.62 2.85 -0.27 -0.02 0.00 0.19 -2.76 107.32 106.69 2kfs s GLY 63 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.92 2kfs s GLY 63 CO 0.00 0.80 0.30 0.14 0.00 0.00 0.00 173.10 174.34 2kfs s VAL 64 N -1.27 5.23 0.12 1.40 1.01 -1.26 0.06 120.40 125.69 2kfs s VAL 64 Ca 0.38 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.83 2kfs s VAL 64 Cb -0.21 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2kfs s VAL 64 CO 0.25 0.20 -0.09 0.68 0.00 0.00 0.00 175.10 176.14 2kfs s VAL 65 N 1.88 0.96 -0.08 2.92 -7.23 0.95 -2.58 120.40 117.22 2kfs s VAL 65 Ca 0.12 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 2kfs s VAL 65 Cb -0.16 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.05 2kfs s VAL 65 CO 0.10 -0.79 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.37 2kfs s ILE 66 N -3.41 1.01 0.21 -0.62 1.09 0.41 -0.76 121.20 119.14 2kfs s ILE 66 Ca 0.14 -0.35 -0.32 0.00 -1.10 0.00 0.00 60.65 59.02 2kfs s ILE 66 Cb 0.03 -0.97 -0.12 0.00 -1.06 0.00 0.00 42.46 40.34 2kfs s ILE 66 CO -0.02 0.34 1.70 -2.65 -0.10 0.00 0.00 174.94 174.21 2kfs n PRO 67 N 4.28 2.70 0.14 2.79 -0.02 -1.26 0.02 135.00 143.65 2kfs n PRO 67 Ca -0.19 0.97 0.19 0.00 -2.02 0.00 0.00 63.50 62.45 2kfs n PRO 67 Cb 0.51 -2.80 0.77 0.00 -0.02 0.00 0.00 33.50 31.96 2kfs n PRO 67 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kfs h GLN 68 N 6.49 0.00 0.00 -0.52 4.20 -1.50 -0.63 115.11 123.15 2kfs h GLN 68 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2kfs h GLN 68 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2kfs h GLN 68 CO 0.93 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 180.42 2kfs n VAL 69 N -3.66 1.19 1.35 -0.54 0.24 -1.26 -1.05 118.33 114.59 2kfs n VAL 69 Ca 0.05 0.35 0.14 0.00 -2.04 0.00 0.00 64.34 62.84 2kfs n VAL 69 Cb 0.52 -1.22 0.57 0.00 -1.47 0.00 0.00 33.84 32.24 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 -1.74 0.00 -4.34 6.34 3.01 -0.24 -4.82 117.46 115.66 2kfs n PHE 70 Ca 0.02 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.22 2kfs n PHE 70 Cb 0.13 -0.19 -0.10 0.00 -0.01 0.00 0.00 39.48 39.31 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 -2.52 2.51 1.02 1.38 0.40 -0.22 -3.43 117.98 117.12 2kfs s PHE 71 Ca 0.27 -0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 56.17 2kfs s PHE 71 Cb 0.20 -1.22 0.21 0.00 0.51 0.00 0.00 43.02 42.72 2kfs s PHE 71 CO 0.49 0.53 1.21 0.95 0.70 0.00 0.00 175.22 179.10 2kfs s THR 72 N -1.79 1.88 0.57 0.64 -4.23 0.70 -4.83 115.64 108.57 2kfs s THR 72 Ca 0.24 0.00 0.41 0.00 -1.18 0.00 0.00 61.69 61.17 2kfs s THR 72 Cb -0.08 -2.79 0.41 0.00 1.34 0.00 0.00 72.50 71.38 2kfs s THR 72 CO 0.14 0.00 2.26 -0.55 -0.54 0.00 0.00 174.62 175.93 2kfs h ASN 73 N -1.88 0.00 0.54 3.99 -1.07 -1.94 0.18 115.58 115.40 2kfs h ASN 73 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 2kfs h ASN 73 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 2kfs h ASN 73 CO 0.43 0.00 -0.32 -0.24 0.07 0.00 0.00 177.43 177.37 2kfs n SER 74 N -2.97 0.48 0.00 6.14 2.88 -1.26 -4.92 113.62 113.97 2kfs n SER 74 Ca -0.03 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2kfs n SER 74 Cb 0.09 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 1.45 0.41 3.56 0.46 0.00 0.62 -5.05 105.19 106.63 2kfs n GLY 75 Ca 0.08 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.11 2.00 0.07 1.61 -1.52 -1.26 -4.66 119.66 112.79 2kfs s GLN 76 Ca 0.00 -1.46 -0.31 0.00 -1.95 0.00 0.00 55.36 51.64 2kfs s GLN 76 Cb 0.00 -2.04 -0.07 0.00 -0.22 0.00 0.00 33.01 30.68 2kfs s GLN 76 CO 0.00 0.38 1.37 0.08 -0.25 0.00 0.00 175.29 176.87 2kfs s VAL 77 N -2.11 3.54 0.05 1.09 1.01 -1.26 -0.22 120.40 122.50 2kfs s VAL 77 Ca 0.28 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 2kfs s VAL 77 Cb -0.07 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 2kfs s VAL 77 CO 0.16 0.05 1.89 -0.69 0.00 0.00 0.00 175.10 176.52 2kfs s VAL 78 N 1.52 2.97 0.64 2.92 1.01 -1.22 -4.86 120.40 123.39 2kfs s VAL 78 Ca 0.64 0.13 0.38 0.00 0.00 0.00 0.00 61.98 63.13 2kfs s VAL 78 Cb -0.34 -3.08 0.41 0.00 0.00 0.00 0.00 36.38 33.37 2kfs s VAL 78 CO 0.29 -0.01 2.32 0.07 0.00 0.00 0.00 175.10 177.78 2kfs h LYS 79 N 9.93 0.00 0.00 2.72 2.10 -1.95 -0.27 116.57 129.10 2kfs h LYS 79 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2kfs h LYS 79 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2kfs h LYS 79 CO 0.94 0.00 -0.61 0.77 -2.00 0.00 0.00 179.45 178.55 2kfs h SER 80 N 0.00 0.00 -0.25 7.07 0.02 -1.96 -3.39 113.55 115.04 2kfs h SER 80 Ca 0.00 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2kfs h SER 80 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kfs h SER 80 CO -0.00 0.08 -0.01 0.25 -1.14 0.00 0.00 176.83 176.01 2kfs h LEU 81 N 0.00 0.43 -2.05 5.07 6.46 -1.42 -3.05 115.31 120.77 2kfs h LEU 81 Ca 0.00 -0.32 0.11 0.00 -0.12 0.00 0.00 57.88 57.55 2kfs h LEU 81 Cb 0.80 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 2kfs h LEU 81 CO 0.00 0.65 0.32 -0.65 -0.62 0.00 0.00 178.44 178.14 2kfs h PRO 82 N 0.21 0.00 -0.55 5.25 0.11 -1.73 -0.92 132.00 134.36 2kfs h PRO 82 Ca 0.07 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2kfs h PRO 82 Cb 0.43 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2kfs h PRO 82 CO 0.01 0.00 0.20 0.78 -0.21 0.00 0.00 178.00 178.78 2kfs h GLY 83 N 0.00 0.90 1.08 -0.55 0.00 -1.79 -1.12 103.07 101.60 2kfs h GLY 83 Ca 0.19 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 2kfs h GLY 83 CO -0.00 0.48 -0.24 0.17 0.00 0.00 0.00 176.54 176.95 2kfs h LEU 84 N 0.76 0.97 -1.05 3.11 8.10 -1.24 -2.68 115.31 123.28 2kfs h LEU 84 Ca 0.18 -0.41 -0.03 0.00 0.11 0.00 0.00 57.88 57.73 2kfs h LEU 84 Cb 0.24 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.16 2kfs h LEU 84 CO -0.01 1.17 0.27 -0.07 -4.11 0.00 0.00 178.44 175.69 2kfs h LEU 85 N 0.77 0.86 -0.47 0.17 3.38 -1.29 -2.50 115.31 116.24 2kfs h LEU 85 Ca 0.10 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2kfs h LEU 85 Cb 0.81 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2kfs h LEU 85 CO 0.07 0.76 -0.25 0.74 0.09 0.00 0.00 178.44 179.85 2kfs h THR 86 N 0.93 1.27 -0.43 0.22 2.02 -1.03 0.60 112.91 116.49 2kfs h THR 86 Ca 0.22 -1.42 -0.08 0.00 0.77 0.00 0.00 66.41 65.90 2kfs h THR 86 Cb 0.16 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2kfs h THR 86 CO -0.02 0.49 -0.03 -0.29 0.37 0.00 0.00 175.52 176.04 2kfs h ILE 87 N 0.84 1.27 -0.35 3.11 -0.00 -1.16 -0.48 117.51 120.74 2kfs h ILE 87 Ca 0.10 -1.08 -0.10 0.00 -0.00 0.00 0.00 64.86 63.78 2kfs h ILE 87 Cb 0.84 1.11 -0.01 0.00 -0.00 0.00 0.00 36.82 38.75 2kfs h ILE 87 CO 0.07 0.37 -0.21 -0.07 -0.00 0.00 0.00 178.15 178.31 2kfs h LEU 88 N 0.61 0.68 -0.93 2.19 -0.00 -1.37 -1.65 115.31 114.83 2kfs h LEU 88 Ca 0.12 -0.23 -0.07 0.00 -0.00 0.00 0.00 57.88 57.70 2kfs h LEU 88 Cb 0.53 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 2kfs h LEU 88 CO 0.03 0.88 0.00 -0.74 -0.00 0.00 0.00 178.44 178.61 2kfs h HIS 89 N 0.60 0.84 -0.04 1.13 2.76 -0.61 0.35 115.15 120.16 2kfs h HIS 89 Ca 0.09 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.06 2kfs h HIS 89 Cb 0.68 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2kfs h HIS 89 CO 0.03 0.77 -0.36 0.22 -1.30 0.00 0.00 177.93 177.30 2kfs h ASP 90 N 0.74 0.08 0.94 3.26 3.58 -0.82 -2.10 116.42 122.10 2kfs h ASP 90 Ca 0.14 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kfs h ASP 90 Cb 0.45 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kfs h ASP 90 CO 0.02 0.44 -0.01 0.61 -2.88 0.00 0.00 179.24 177.42 2kfs n GLY 91 N -0.43 -1.47 1.06 -0.78 0.00 -0.48 -4.90 105.19 98.20 2kfs n GLY 91 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.47 0.85 3.78 -0.02 0.00 -0.42 -5.04 105.19 105.82 2kfs n GLY 92 Ca 0.08 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 3.48 0.71 1.61 1.51 -0.02 -5.01 117.35 117.64 2kfs s TYR 93 Ca 0.00 0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 56.44 2kfs s TYR 93 Cb 0.00 -2.10 0.09 0.00 -0.11 0.00 0.00 41.96 39.84 2kfs s TYR 93 CO 0.00 0.44 1.00 -0.98 -1.11 0.00 0.00 175.55 174.90 2kfs s ARG 94 N -0.11 1.90 0.22 -0.62 1.70 -1.26 -4.13 118.95 116.65 2kfs s ARG 94 Ca 0.11 -0.63 -0.08 0.00 -0.47 0.00 0.00 55.73 54.66 2kfs s ARG 94 Cb -0.12 -2.23 0.36 0.00 -0.57 0.00 0.00 34.95 32.39 2kfs s ARG 94 CO 0.01 -1.36 1.72 0.38 -1.08 0.00 0.00 175.30 174.96 2kfs h ASP 95 N -0.59 0.13 -0.71 -2.89 3.04 -1.97 -0.05 116.42 113.38 2kfs h ASP 95 Ca -0.42 0.11 -0.03 0.00 -3.24 0.00 0.00 57.03 53.45 2kfs h ASP 95 Cb 1.29 0.12 -0.03 0.00 -1.04 0.00 0.00 39.33 39.66 2kfs h ASP 95 CO 0.50 0.06 0.32 0.74 -2.04 0.00 0.00 179.24 178.81 2kfs h THR 96 N 0.34 1.24 -0.55 1.15 2.02 -1.89 -2.66 112.91 112.56 2kfs h THR 96 Ca 0.35 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 2kfs h THR 96 Cb 0.52 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2kfs h THR 96 CO -0.40 0.29 0.01 -0.33 0.37 0.00 0.00 175.52 175.46 2kfs h GLU 97 N 1.00 0.93 -0.25 6.66 4.39 -1.41 -0.69 114.58 125.21 2kfs h GLU 97 Ca 0.24 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kfs h GLU 97 Cb 0.15 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2kfs h GLU 97 CO -0.03 0.91 0.14 0.82 -1.16 0.00 0.00 179.01 179.70 2kfs h ILE 98 N 0.86 1.11 0.00 3.13 1.08 -1.05 -2.21 117.51 120.43 2kfs h ILE 98 Ca 0.16 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2kfs h ILE 98 Cb 0.49 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2kfs h ILE 98 CO 0.02 0.11 0.00 0.24 -0.69 0.00 0.00 178.15 177.83 2kfs h MET 99 N 0.30 0.00 0.30 2.37 2.86 -1.14 -2.77 114.93 116.86 2kfs h MET 99 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2kfs h MET 99 Cb 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2kfs h MET 99 CO -0.02 0.00 -0.21 -0.09 1.06 0.00 0.00 176.91 177.65 2kfs h ARG 100 N 0.00 -0.47 -0.12 1.72 2.43 -0.47 -1.10 114.38 116.36 2kfs h ARG 100 Ca 0.00 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2kfs h ARG 100 Cb 0.55 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2kfs h ARG 100 CO 0.00 -0.32 -0.41 0.11 -1.51 0.00 0.00 179.97 177.84 2kfs h TRP 101 N -0.49 0.32 -0.88 2.20 5.08 -1.65 -3.02 115.95 117.51 2kfs h TRP 101 Ca -0.04 -0.09 -0.00 0.00 1.08 0.00 0.00 58.89 59.84 2kfs h TRP 101 Cb 0.40 -0.07 -0.04 0.00 -3.00 0.00 0.00 29.16 26.45 2kfs h TRP 101 CO -0.03 0.65 0.54 -0.07 -1.28 0.00 0.00 178.44 178.24 2kfs h LEU 102 N 0.23 1.06 -0.05 0.11 3.38 -1.44 -2.69 115.31 115.91 2kfs h LEU 102 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kfs h LEU 102 Cb 0.83 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kfs h LEU 102 CO 0.07 0.81 -0.36 0.49 0.09 0.00 0.00 178.44 179.53 2kfs n PHE 103 N -4.41 0.00 -3.06 1.13 3.01 -0.42 -2.78 117.46 110.92 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 0.05 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.18 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 -2.94 4.98 0.15 4.37 2.01 -1.01 -4.93 115.64 118.27 2kfs s THR 104 Ca 0.13 1.29 -0.34 0.00 0.31 0.00 0.00 61.69 63.09 2kfs s THR 104 Cb 0.18 -3.99 -0.14 0.00 0.01 0.00 0.00 72.50 68.56 2kfs s THR 104 CO 0.64 0.07 1.60 -2.65 -0.69 0.00 0.00 174.62 173.60 2kfs n PRO 105 N 5.22 2.21 -3.15 4.92 -0.02 -1.26 -4.36 135.00 138.55 2kfs n PRO 105 Ca 0.00 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 2kfs n PRO 105 Cb 0.49 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 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 1.08 6.57 0.44 2.55 -1.08 0.53 -4.83 116.67 121.93 2kfs s ASP 106 Ca 0.79 0.70 0.30 0.00 -0.52 0.00 0.00 52.55 53.82 2kfs s ASP 106 Cb -0.66 -2.33 1.56 0.00 -1.46 0.00 0.00 42.92 40.03 2kfs s ASP 106 CO 0.38 -0.32 1.91 1.55 0.52 0.00 0.00 175.17 179.20 2kfs h PRO 107 N 7.79 0.00 -0.23 4.34 0.13 -1.91 -1.66 132.00 140.45 2kfs h PRO 107 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2kfs h PRO 107 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kfs h PRO 107 CO 0.76 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.96 2kfs n SER 108 N -2.56 2.58 -4.60 1.44 7.64 -1.26 -4.72 113.62 112.14 2kfs n SER 108 Ca -0.01 -1.82 -0.36 0.00 1.01 0.00 0.00 58.87 57.69 2kfs n SER 108 Cb 0.08 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.97 3.84 -0.15 -3.43 2.96 -0.62 -4.99 118.68 115.32 2kfs s LEU 109 Ca 0.19 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2kfs s LEU 109 Cb 0.11 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.82 2kfs s LEU 109 CO 0.15 0.09 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.27 2kfs s THR 110 N 0.88 1.39 0.14 3.68 2.01 -1.26 -0.18 115.64 122.31 2kfs s THR 110 Ca 0.05 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.44 2kfs s THR 110 Cb -0.13 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2kfs s THR 110 CO 0.03 0.33 -0.01 0.27 -0.69 0.00 0.00 174.62 174.55 2kfs s ILE 111 N 1.54 0.57 -0.18 1.82 -4.36 -0.55 -4.91 121.20 115.14 2kfs s ILE 111 Ca 0.03 -1.95 -0.19 0.00 -0.26 0.00 0.00 60.65 58.28 2kfs s ILE 111 Cb -0.14 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 2kfs s ILE 111 CO -0.09 -0.60 0.54 0.42 0.24 0.00 0.00 174.94 175.45 2kfs s THR 112 N -3.72 5.10 0.26 8.37 -4.23 -1.26 0.36 115.64 120.52 2kfs s THR 112 Ca 0.20 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.74 2kfs s THR 112 Cb 0.06 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2kfs s THR 112 CO 0.01 0.19 0.15 0.00 -0.54 0.00 0.00 174.62 174.43 2kfs s ARG 113 N 1.50 1.42 -0.77 3.99 1.70 -0.69 -4.46 118.95 121.65 2kfs s ARG 113 Ca 0.26 -1.78 -0.03 0.00 -0.47 0.00 0.00 55.73 53.70 2kfs s ARG 113 Cb -0.16 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 2kfs s ARG 113 CO 0.10 -0.43 0.64 -3.47 -1.08 0.00 0.00 175.30 171.06 2kfs n ASP 114 N -0.66 -5.89 0.00 -2.89 2.03 -1.26 -1.48 116.55 106.40 2kfs n ASP 114 Ca 0.02 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.73 2kfs n ASP 114 Cb 0.65 -2.90 0.00 0.00 -0.72 0.00 0.00 41.12 38.15 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfs n GLY 115 N -1.56 1.25 2.31 0.27 0.00 -1.26 -4.08 105.19 102.11 2kfs n GLY 115 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2kfs n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 116 N 0.00 -4.30 0.23 1.61 7.64 -0.55 -4.91 113.62 113.33 2kfs n SER 116 Ca 0.00 0.13 0.08 0.00 1.01 0.00 0.00 58.87 60.09 2kfs n SER 116 Cb 0.00 -3.26 0.57 0.00 -1.01 0.00 0.00 64.21 60.50 2kfs n SER 116 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2kfs h ARG 117 N 0.00 0.00 -2.70 1.43 0.11 -1.69 -3.42 114.38 108.11 2kfs h ARG 117 Ca -0.29 0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.87 2kfs h ARG 117 Cb 1.07 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.05 2kfs h ARG 117 CO 0.38 0.20 0.34 0.34 0.10 0.00 0.00 179.97 181.32 2kfs s ASP 118 N -6.60 -0.35 0.04 0.08 2.15 -1.26 -5.03 116.67 105.71 2kfs s ASP 118 Ca -0.03 -0.27 -0.20 0.00 0.43 0.00 0.00 52.55 52.48 2kfs s ASP 118 Cb 0.14 0.57 -0.06 0.00 -0.30 0.00 0.00 42.92 43.27 2kfs s ASP 118 CO 0.65 -0.99 0.57 0.00 -0.17 0.00 0.00 175.17 175.23 2kfs s ALA 119 N -3.56 3.56 -0.06 3.66 0.00 -1.26 -1.71 121.76 122.39 2kfs s ALA 119 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2kfs s ALA 119 Cb -0.03 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2kfs s ALA 119 CO -0.03 0.32 -0.17 0.08 0.00 0.00 0.00 175.76 175.97 2kfs s VAL 120 N -0.78 1.42 0.22 0.00 1.01 0.16 -4.93 120.40 117.50 2kfs s VAL 120 Ca 0.29 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2kfs s VAL 120 Cb -0.19 -1.24 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 2kfs s VAL 120 CO 0.18 0.41 0.65 -0.94 0.00 0.00 0.00 175.10 175.40 2kfs s SER 121 N 0.26 6.86 -0.72 3.32 1.04 -1.26 -1.47 113.70 121.72 2kfs s SER 121 Ca -0.09 1.21 -0.01 0.00 0.48 0.00 0.00 55.95 57.54 2kfs s SER 121 Cb -0.14 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 2kfs s SER 121 CO 0.03 -0.01 0.67 0.59 0.98 0.00 0.00 173.24 175.50 2kfs n ASN 122 N 0.38 -7.11 -4.64 7.02 4.13 0.75 -4.97 115.26 110.82 2kfs n ASN 122 Ca -0.02 -0.16 -0.28 0.00 1.68 0.00 0.00 54.58 55.80 2kfs n ASN 122 Cb 0.52 -4.91 -0.11 0.00 -1.54 0.00 0.00 39.78 33.75 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kfs s ALA 123 N -3.06 3.26 0.12 5.41 0.00 -1.22 -4.65 121.76 121.62 2kfs s ALA 123 Ca 0.07 -2.18 -0.30 0.00 0.00 0.00 0.00 51.96 49.55 2kfs s ALA 123 Cb -0.01 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 2kfs s ALA 123 CO 0.68 -0.12 1.03 1.03 0.00 0.00 0.00 175.76 178.38 2kfs s ARG 124 N -3.74 4.63 0.55 0.00 0.52 -1.26 -0.34 118.95 119.31 2kfs s ARG 124 Ca 0.34 1.56 0.25 0.00 -0.52 0.00 0.00 55.73 57.36 2kfs s ARG 124 Cb 0.09 -3.35 1.46 0.00 0.52 0.00 0.00 34.95 33.67 2kfs s ARG 124 CO 0.17 0.11 2.06 -1.35 0.02 0.00 0.00 175.30 176.31 2kfs h PRO 125 N 5.63 0.00 -0.27 3.54 0.11 -1.74 -0.34 132.00 138.93 2kfs h PRO 125 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 2kfs h PRO 125 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2kfs h PRO 125 CO 0.73 0.00 -0.17 0.28 -0.21 0.00 0.00 178.00 178.63 2kfs h VAL 126 N 0.00 1.24 -0.09 3.15 2.07 -1.87 -1.97 116.25 118.78 2kfs h VAL 126 Ca 0.15 -1.11 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 2kfs h VAL 126 Cb 0.65 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2kfs h VAL 126 CO -0.00 0.36 -0.47 -0.78 0.02 0.00 0.00 177.57 176.69 2kfs h ASP 127 N 0.44 0.24 -0.00 0.57 1.82 -1.36 -2.92 116.42 115.20 2kfs h ASP 127 Ca 0.08 -0.11 -0.13 0.00 -0.39 0.00 0.00 57.03 56.47 2kfs h ASP 127 Cb 0.56 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2kfs h ASP 127 CO 0.04 0.68 -0.42 0.00 -1.61 0.00 0.00 179.24 177.93 2kfs h ALA 128 N 1.33 0.86 -0.30 -0.78 0.00 -0.94 -2.42 119.26 117.02 2kfs h ALA 128 Ca 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2kfs h ALA 128 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kfs h ALA 128 CO 0.07 0.64 -0.34 1.37 0.00 0.00 0.00 179.25 181.00 2kfs h LEU 129 N 0.43 0.68 -0.19 0.00 8.10 -1.18 0.18 115.31 123.32 2kfs h LEU 129 Ca 0.03 -0.28 0.00 0.00 0.11 0.00 0.00 57.88 57.75 2kfs h LEU 129 Cb 0.91 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.94 2kfs h LEU 129 CO 0.08 0.96 0.00 -0.74 -4.11 0.00 0.00 178.44 174.63 2kfs h HIS 130 N 0.55 0.00 -0.14 0.17 2.76 -1.51 -2.13 115.15 114.84 2kfs h HIS 130 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2kfs h HIS 130 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 2kfs h HIS 130 CO 0.04 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.67 2kfs n ALA 131 N -1.83 2.53 -2.14 5.26 0.00 -0.67 -4.89 120.51 118.77 2kfs n ALA 131 Ca 0.05 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.87 2kfs n ALA 131 Cb 0.40 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 2kfs n ALA 131 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kfs n HIS 132 N 0.12 -0.63 -1.21 0.00 -0.00 -0.80 -4.87 115.22 107.83 2kfs n HIS 132 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.82 2kfs n HIS 132 Cb 0.27 -3.33 0.24 0.00 -0.00 0.00 0.00 29.99 27.17 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 -2.61 2.67 -0.09 -0.41 6.02 0.53 -4.72 117.38 118.77 2kfs n GLN 133 Ca -0.20 -3.06 0.25 0.00 -0.01 0.00 0.00 57.00 53.99 2kfs n GLN 133 Cb 0.63 -2.00 0.72 0.00 1.02 0.00 0.00 30.24 30.61 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 1.64 2.61 -0.94 -1.58 0.00 -1.80 -0.96 119.26 118.22 2kfs h ALA 134 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2kfs h ALA 134 Cb 2.03 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 2kfs h ALA 134 CO 0.58 -0.96 0.62 0.00 0.00 0.00 0.00 179.25 179.49 2kfs h ARG 135 N 0.00 1.25 -0.22 0.00 -0.00 -1.93 0.29 114.38 113.77 2kfs h ARG 135 Ca 0.35 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.98 59.70 2kfs h ARG 135 Cb 1.51 -0.28 -0.01 0.00 0.00 0.00 0.00 29.97 31.19 2kfs h ARG 135 CO -0.00 0.83 -0.07 0.93 0.00 0.00 0.00 179.97 181.66 2kfs h GLU 136 N 1.28 0.34 -0.05 0.04 3.07 -1.58 0.56 114.58 118.25 2kfs h GLU 136 Ca 0.34 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 2kfs h GLU 136 Cb -0.13 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 2kfs h GLU 136 CO -0.07 0.43 -0.12 0.28 -1.40 0.00 0.00 179.01 178.13 2kfs h VAL 137 N 0.32 1.44 -0.54 3.13 2.07 -1.21 -2.62 116.25 118.85 2kfs h VAL 137 Ca 0.07 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2kfs h VAL 137 Cb 0.34 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 2kfs h VAL 137 CO 0.02 0.41 0.34 0.58 0.02 0.00 0.00 177.57 178.93 2kfs h VAL 138 N -0.36 1.15 -0.61 2.57 2.07 -0.13 0.65 116.25 121.59 2kfs h VAL 138 Ca -0.00 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2kfs h VAL 138 Cb 0.72 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2kfs h VAL 138 CO 0.03 0.15 0.17 0.08 0.02 0.00 0.00 177.57 178.01 2kfs h ARG 139 N 0.73 0.94 -0.72 1.57 0.11 -0.95 0.26 114.38 116.31 2kfs h ARG 139 Ca 0.20 -0.20 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2kfs h ARG 139 Cb -0.05 -0.14 -0.03 0.00 1.11 0.00 0.00 29.97 30.86 2kfs h ARG 139 CO -0.04 0.83 0.20 0.00 0.10 0.00 0.00 179.97 181.06 2kfs h ARG 140 N 0.91 1.14 -0.32 0.08 2.47 -1.04 -0.49 114.38 117.13 2kfs h ARG 140 Ca 0.20 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2kfs h ARG 140 Cb 0.30 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 2kfs h ARG 140 CO -0.00 0.99 0.18 0.00 0.56 0.00 0.00 179.97 181.69 2kfs h ALA 141 N 1.12 0.41 -0.43 0.04 0.00 -0.06 -0.22 119.26 120.12 2kfs h ALA 141 Ca 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kfs h ALA 141 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kfs h ALA 141 CO -0.00 -0.07 0.26 1.96 0.00 0.00 0.00 179.25 181.40 2kfs h GLN 142 N 0.40 0.59 0.00 0.00 4.20 -0.35 0.63 115.11 120.58 2kfs h GLN 142 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2kfs h GLN 142 Cb 0.05 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2kfs h GLN 142 CO -0.02 0.44 -0.04 0.00 -0.67 0.00 0.00 178.83 178.54 2kfs h ALA 143 N 1.11 1.03 0.19 3.87 0.00 -0.82 0.27 119.26 124.92 2kfs h ALA 143 Ca 0.15 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.72 2kfs h ALA 143 Cb 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kfs h ALA 143 CO -0.03 0.05 -1.50 1.98 0.00 0.00 0.00 179.25 179.75 2kfs h MET 144 N 0.00 0.40 0.00 0.00 1.85 -0.25 -3.40 114.93 113.53 2kfs h MET 144 Ca -0.00 -0.69 -0.03 0.00 -0.61 0.00 0.00 59.70 58.38 2kfs h MET 144 Cb 0.42 0.26 -0.00 0.00 0.43 0.00 0.00 31.60 32.70 2kfs h MET 144 CO 0.00 1.33 -0.16 0.00 -0.40 0.00 0.00 176.91 177.69 2kfs h ALA 145 N 0.09 0.03 -0.00 0.39 0.00 -0.52 -3.51 119.26 115.74 2kfs h ALA 145 Ca -0.29 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2kfs h ALA 145 Cb 2.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2kfs h ALA 145 CO 0.18 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.19