#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 3.94 -1.48 2.12 0.04 -1.26 -4.93 135.00 133.43 2kfs s PRO 2 Ca 0.00 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2kfs s PRO 2 Cb 0.00 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2kfs s PRO 2 CO 0.00 -0.29 2.77 0.41 0.04 0.00 0.00 177.00 179.93 2kfs n GLY 3 N -0.61 4.58 3.72 0.56 0.00 -1.26 -4.94 105.19 107.25 2kfs n GLY 3 Ca 0.08 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 0.90 4.44 0.00 1.61 3.52 -1.26 -4.94 118.95 123.23 2kfs s ARG 4 Ca 0.64 1.84 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 2kfs s ARG 4 Cb 0.19 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2kfs s ARG 4 CO -0.07 -0.21 0.00 0.00 -0.81 0.00 0.00 175.30 174.21 2kfs n ALA 5 N 3.39 0.00 -2.44 6.12 0.00 -1.26 -5.04 120.51 121.28 2kfs n ALA 5 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 2kfs n ALA 5 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 2kfs n ALA 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kfs n PRO 6 N 0.00 2.78 0.00 0.00 -0.04 -1.26 -4.28 135.00 132.19 2kfs n PRO 6 Ca 0.00 -3.06 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 2kfs n PRO 6 Cb 0.00 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 29.90 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 5.49 0.64 0.22 0.55 0.00 -1.26 -4.96 105.19 105.87 2kfs n GLY 7 Ca 0.48 -0.93 0.09 0.00 0.00 0.00 0.00 46.02 45.66 2kfs n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfs h SER 8 N 0.00 0.00 -3.84 1.61 4.64 -1.94 -3.43 113.55 110.58 2kfs h SER 8 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2kfs h SER 8 Cb 0.00 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 2kfs h SER 8 CO 0.00 0.24 -0.77 -0.89 -0.87 0.00 0.00 176.83 174.54 2kfs s THR 9 N -3.81 3.11 0.55 2.95 2.01 -1.26 -5.10 115.64 114.09 2kfs s THR 9 Ca -0.01 -1.02 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 2kfs s THR 9 Cb 0.11 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 2kfs s THR 9 CO 0.64 0.36 1.06 -0.76 -0.69 0.00 0.00 174.62 175.23 2kfs s LEU 10 N -1.42 3.65 -0.01 4.42 1.43 -1.26 -5.06 118.68 120.43 2kfs s LEU 10 Ca 0.16 1.89 0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2kfs s LEU 10 Cb -0.11 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 2kfs s LEU 10 CO 0.06 -1.02 -0.14 0.00 0.23 0.00 0.00 176.35 175.48 2kfs s ALA 11 N -2.21 1.17 -0.90 4.21 0.00 -1.26 -5.08 121.76 117.69 2kfs s ALA 11 Ca 0.66 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 2kfs s ALA 11 Cb -0.17 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.73 2kfs s ALA 11 CO 0.29 0.28 1.21 1.03 0.00 0.00 0.00 175.76 178.58 2kfs s ARG 12 N -0.29 3.50 -0.30 0.00 0.52 -1.26 -4.97 118.95 116.15 2kfs s ARG 12 Ca 0.05 -1.33 -0.21 0.00 -0.52 0.00 0.00 55.73 53.72 2kfs s ARG 12 Cb -0.06 -4.90 -0.01 0.00 0.52 0.00 0.00 34.95 30.50 2kfs s ARG 12 CO -0.00 -1.94 0.66 0.14 0.02 0.00 0.00 175.30 174.18 2kfs s VAL 13 N 3.79 4.91 0.00 3.52 -7.23 -1.26 -4.11 120.40 120.02 2kfs s VAL 13 Ca 0.35 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.47 2kfs s VAL 13 Cb -0.05 -4.03 0.00 0.00 0.56 0.00 0.00 36.38 32.86 2kfs s VAL 13 CO -0.05 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 2kfs n GLY 14 N 4.35 2.34 3.55 2.32 0.00 -1.26 -4.75 105.19 111.74 2kfs n GLY 14 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2kfs n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 15 N 0.00 5.42 -0.25 1.61 0.15 -0.59 -2.49 113.70 117.55 2kfs s SER 15 Ca 0.00 0.12 -0.10 0.00 0.70 0.00 0.00 55.95 56.67 2kfs s SER 15 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2kfs s SER 15 CO 0.00 -2.30 0.15 -0.63 1.20 0.00 0.00 173.24 171.66 2kfs s ILE 16 N 8.54 5.18 0.62 6.45 -1.09 -1.26 -4.79 121.20 134.86 2kfs s ILE 16 Ca 0.62 0.12 -0.15 0.00 -2.23 0.00 0.00 60.65 59.01 2kfs s ILE 16 Cb -0.11 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2kfs s ILE 16 CO 0.18 0.32 1.07 -2.16 -1.23 0.00 0.00 174.94 173.12 2kfs s PRO 17 N 1.33 3.14 -0.14 2.79 0.04 -1.26 -4.79 135.00 136.11 2kfs s PRO 17 Ca 0.07 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.08 2kfs s PRO 17 Cb -0.15 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2kfs s PRO 17 CO 0.07 -0.96 0.88 0.00 0.04 0.00 0.00 177.00 177.03 2kfs s ALA 18 N -2.47 3.46 0.00 8.56 0.00 -1.26 -4.70 121.76 125.35 2kfs s ALA 18 Ca 0.64 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2kfs s ALA 18 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2kfs s ALA 18 CO 0.40 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2kfs n GLY 19 N 3.30 0.14 3.43 0.00 0.00 -1.26 -4.58 105.19 106.22 2kfs n GLY 19 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.87 4.10 -0.00 1.61 2.15 -1.26 -3.70 116.67 118.69 2kfs s ASP 20 Ca 0.00 -0.25 -0.30 0.00 0.43 0.00 0.00 52.55 52.43 2kfs s ASP 20 Cb 0.00 -1.29 -0.04 0.00 -0.30 0.00 0.00 42.92 41.28 2kfs s ASP 20 CO 0.00 0.25 1.19 1.51 -0.17 0.00 0.00 175.17 177.94 2kfs s ASP 21 N -0.15 7.08 0.01 -0.34 -4.77 -1.17 -4.55 116.67 112.79 2kfs s ASP 21 Ca -0.00 1.89 0.21 0.00 -3.30 0.00 0.00 52.55 51.35 2kfs s ASP 21 Cb -0.13 -2.57 -0.24 0.00 -1.09 0.00 0.00 42.92 38.89 2kfs s ASP 21 CO 0.03 -0.51 0.59 0.52 0.70 0.00 0.00 175.17 176.50 2kfs n VAL 22 N 4.27 0.37 -2.56 2.11 0.31 -1.26 -4.97 118.33 116.61 2kfs n VAL 22 Ca 0.10 -0.56 -0.33 0.00 -0.01 0.00 0.00 64.34 63.54 2kfs n VAL 22 Cb 0.47 -0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.17 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 -4.90 3.77 0.56 7.52 0.05 -1.26 -5.03 118.68 119.39 2kfs s LEU 23 Ca -0.06 1.69 -0.18 0.00 0.05 0.00 0.00 54.13 55.62 2kfs s LEU 23 Cb 0.12 -4.53 -0.05 0.00 -2.05 0.00 0.00 46.19 39.68 2kfs s LEU 23 CO 0.87 -0.57 1.10 -1.81 -0.55 0.00 0.00 176.35 175.39 2kfs s ASP 24 N -2.54 5.73 0.60 1.48 1.11 -1.26 -4.91 116.67 116.87 2kfs s ASP 24 Ca 0.62 2.06 0.30 0.00 0.18 0.00 0.00 52.55 55.71 2kfs s ASP 24 Cb -0.11 -2.57 1.82 0.00 1.07 0.00 0.00 42.92 43.14 2kfs s ASP 24 CO 0.23 -1.21 2.23 -0.65 1.18 0.00 0.00 175.17 176.95 2kfs h PRO 25 N 0.97 0.00 0.00 8.23 0.11 -2.00 0.77 132.00 140.07 2kfs h PRO 25 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kfs h PRO 25 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kfs h PRO 25 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 2kfs n ASP 26 N -3.79 0.58 -4.72 -2.05 9.92 -1.26 -4.63 116.55 110.60 2kfs n ASP 26 Ca -0.02 0.61 -0.41 0.00 -0.53 0.00 0.00 54.79 54.45 2kfs n ASP 26 Cb 0.14 -0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 39.83 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kfs s GLU 27 N -3.21 4.51 0.46 -1.24 0.41 0.26 -5.02 118.70 114.87 2kfs s GLU 27 Ca 0.07 1.13 -0.23 0.00 -0.41 0.00 0.00 54.97 55.53 2kfs s GLU 27 Cb 0.11 -3.43 -0.07 0.00 -1.78 0.00 0.00 34.13 28.96 2kfs s GLU 27 CO 0.43 0.09 1.18 -1.25 -0.49 0.00 0.00 175.26 175.22 2kfs s PRO 28 N 0.60 3.73 0.26 0.39 0.04 -1.26 -4.86 135.00 133.90 2kfs s PRO 28 Ca 0.43 1.80 0.05 0.00 0.04 0.00 0.00 61.00 63.32 2kfs s PRO 28 Cb -0.20 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 2kfs s PRO 28 CO 0.23 -0.59 -0.02 0.95 0.04 0.00 0.00 177.00 177.62 2kfs s THR 29 N -1.53 1.28 0.18 1.26 -4.23 -1.26 -1.36 115.64 109.98 2kfs s THR 29 Ca 0.64 -2.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 2kfs s THR 29 Cb -0.29 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 2kfs s THR 29 CO 0.36 -0.28 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.76 2kfs s TYR 30 N -3.25 1.44 0.25 3.99 2.02 0.13 -4.64 117.35 117.28 2kfs s TYR 30 Ca 0.30 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 2kfs s TYR 30 Cb 0.05 -0.75 -0.05 0.00 -0.40 0.00 0.00 41.96 40.81 2kfs s TYR 30 CO 0.11 0.11 0.08 0.34 -1.57 0.00 0.00 175.55 174.62 2kfs s ASP 31 N -3.24 1.24 0.13 2.29 -1.08 -1.26 -0.06 116.67 114.69 2kfs s ASP 31 Ca 0.21 -1.36 -0.22 0.00 -0.52 0.00 0.00 52.55 50.65 2kfs s ASP 31 Cb 0.03 0.15 -0.03 0.00 -1.46 0.00 0.00 42.92 41.61 2kfs s ASP 31 CO 0.04 -0.71 1.67 -0.07 0.52 0.00 0.00 175.17 176.62 2kfs h LEU 32 N 2.41 -0.48 -1.39 -1.34 4.07 -1.97 0.81 115.31 117.42 2kfs h LEU 32 Ca -0.38 0.09 0.04 0.00 0.08 0.00 0.00 57.88 57.71 2kfs h LEU 32 Cb 1.24 0.23 -0.04 0.00 1.08 0.00 0.00 40.66 43.17 2kfs h LEU 32 CO 0.61 -0.20 0.45 1.55 -1.08 0.00 0.00 178.44 179.77 2kfs h PRO 33 N -0.20 0.75 -0.36 1.13 0.13 -1.98 0.12 132.00 131.60 2kfs h PRO 33 Ca 0.09 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 65.02 2kfs h PRO 33 Cb 0.33 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 2kfs h PRO 33 CO -0.23 0.50 -0.40 -0.09 -0.23 0.00 0.00 178.00 177.55 2kfs h ARG 34 N 0.77 0.88 -0.36 0.86 9.65 -1.70 -0.15 114.38 124.34 2kfs h ARG 34 Ca 0.28 -0.47 -0.15 0.00 -1.10 0.00 0.00 59.98 58.54 2kfs h ARG 34 Cb 0.13 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2kfs h ARG 34 CO -0.08 1.12 -0.36 0.28 2.80 0.00 0.00 179.97 183.72 2kfs h VAL 35 N 0.72 1.28 -0.63 0.20 2.07 -0.29 -2.09 116.25 117.51 2kfs h VAL 35 Ca 0.06 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.06 2kfs h VAL 35 Cb 0.98 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 2kfs h VAL 35 CO 0.09 0.51 0.42 0.00 0.02 0.00 0.00 177.57 178.61 2kfs h ALA 36 N 0.88 1.58 -0.42 1.67 0.00 -0.56 0.24 119.26 122.65 2kfs h ALA 36 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 36 Cb 0.93 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kfs h ALA 36 CO 0.09 0.37 0.07 1.49 0.00 0.00 0.00 179.25 181.27 2kfs h GLU 37 N 0.83 0.70 0.02 0.00 4.81 -0.70 0.66 114.58 120.90 2kfs h GLU 37 Ca 0.24 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2kfs h GLU 37 Cb -0.04 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2kfs h GLU 37 CO -0.06 0.74 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.88 2kfs h LEU 38 N 0.56 -0.02 0.00 1.64 3.38 -0.57 -3.24 115.31 117.05 2kfs h LEU 38 Ca 0.13 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2kfs h LEU 38 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kfs h LEU 38 CO 0.01 0.33 -0.09 -0.07 0.09 0.00 0.00 178.44 178.71 2kfs h LEU 39 N -0.37 0.00 0.08 1.67 3.38 -1.01 -3.47 115.31 115.59 2kfs h LEU 39 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2kfs h LEU 39 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2kfs h LEU 39 CO 0.00 0.01 -0.02 0.61 0.09 0.00 0.00 178.44 179.13 2kfs n GLY 40 N 1.19 0.41 3.45 0.83 0.00 0.16 -5.04 105.19 106.19 2kfs n GLY 40 Ca 0.04 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.04 2.36 0.74 1.61 -7.23 -0.81 -5.03 120.40 110.01 2kfs s VAL 41 Ca 0.00 -2.33 -0.15 0.00 -1.81 0.00 0.00 61.98 57.69 2kfs s VAL 41 Cb 0.00 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.75 2kfs s VAL 41 CO 0.00 -0.39 1.22 -2.16 -0.31 0.00 0.00 175.10 173.46 2kfs s PRO 42 N -3.42 2.02 0.39 4.82 0.04 -1.26 -4.49 135.00 133.11 2kfs s PRO 42 Ca 0.28 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.21 2kfs s PRO 42 Cb -0.05 -1.81 0.84 0.00 0.04 0.00 0.00 34.50 33.51 2kfs s PRO 42 CO 0.13 -1.94 1.99 0.28 0.04 0.00 0.00 177.00 177.50 2kfs h VAL 43 N -0.38 1.01 -0.32 -0.36 2.07 -1.93 -1.12 116.25 115.24 2kfs h VAL 43 Ca -0.48 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2kfs h VAL 43 Cb 1.30 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2kfs h VAL 43 CO 0.49 0.11 -0.05 -1.28 0.02 0.00 0.00 177.57 176.86 2kfs h SER 44 N 0.63 0.48 -0.07 0.57 0.87 -1.96 0.24 113.55 114.31 2kfs h SER 44 Ca 0.26 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 2kfs h SER 44 Cb 0.25 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2kfs h SER 44 CO -0.08 0.58 -0.36 0.11 -0.53 0.00 0.00 176.83 176.55 2kfs h LYS 45 N 0.48 0.57 -0.56 2.24 1.57 -1.57 -0.95 116.57 118.34 2kfs h LYS 45 Ca 0.10 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2kfs h LYS 45 Cb 0.39 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2kfs h LYS 45 CO 0.02 0.85 0.23 0.28 -0.57 0.00 0.00 179.45 180.25 2kfs h VAL 46 N 0.48 1.22 -0.66 0.50 2.07 -1.08 -1.43 116.25 117.35 2kfs h VAL 46 Ca 0.05 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2kfs h VAL 46 Cb 0.85 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2kfs h VAL 46 CO 0.07 0.27 0.40 0.00 0.02 0.00 0.00 177.57 178.33 2kfs h ALA 47 N 1.07 1.47 -0.28 1.67 0.00 -0.61 -1.73 119.26 120.86 2kfs h ALA 47 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2kfs h ALA 47 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kfs h ALA 47 CO -0.02 0.46 -0.25 1.96 0.00 0.00 0.00 179.25 181.41 2kfs h GLN 48 N 0.90 0.54 -0.20 0.00 4.20 -0.65 -0.30 115.11 119.59 2kfs h GLN 48 Ca 0.24 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.76 2kfs h GLN 48 Cb -0.04 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2kfs h GLN 48 CO -0.05 0.75 0.06 1.96 -0.67 0.00 0.00 178.83 180.89 2kfs h GLN 49 N 0.47 0.15 -0.63 1.46 1.08 -0.36 0.91 115.11 118.20 2kfs h GLN 49 Ca 0.07 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2kfs h GLN 49 Cb 0.69 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 2kfs h GLN 49 CO 0.05 0.10 0.31 1.25 -0.95 0.00 0.00 178.83 179.59 2kfs h LEU 50 N 0.16 0.82 -1.41 1.46 5.85 -1.26 0.93 115.31 121.85 2kfs h LEU 50 Ca 0.09 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kfs h LEU 50 Cb 0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2kfs h LEU 50 CO -0.10 0.72 -0.07 0.03 -0.34 0.00 0.00 178.44 178.69 2kfs h ARG 51 N 0.87 0.00 -0.01 1.25 3.08 -0.48 -2.59 114.38 116.50 2kfs h ARG 51 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2kfs h ARG 51 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2kfs h ARG 51 CO -0.03 0.07 -0.40 0.39 -1.07 0.00 0.00 179.97 178.93 2kfs n GLU 52 N -3.20 1.08 -2.47 0.04 -0.58 0.26 -1.54 120.64 114.23 2kfs n GLU 52 Ca 0.00 -0.82 -0.04 0.00 -0.42 0.00 0.00 57.16 55.88 2kfs n GLU 52 Cb 0.33 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.73 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kfs n GLY 53 N 1.39 0.53 0.31 0.62 0.00 -0.90 -4.56 105.19 102.58 2kfs n GLY 53 Ca 0.10 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.31 0.00 -3.53 1.61 -0.00 0.27 -4.80 115.22 105.46 2kfs n HIS 54 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.56 2kfs n HIS 54 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.46 2kfs n HIS 54 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2kfs s LEU 55 N -2.02 -0.35 0.05 0.27 2.96 -1.13 -4.83 118.68 113.63 2kfs s LEU 55 Ca 0.12 0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 2kfs s LEU 55 Cb 0.12 2.33 -0.02 0.00 0.50 0.00 0.00 46.19 49.12 2kfs s LEU 55 CO 0.40 -0.71 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.87 2kfs s VAL 56 N -2.15 1.22 0.06 1.68 1.01 -1.26 -4.14 120.40 116.82 2kfs s VAL 56 Ca -0.07 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.79 2kfs s VAL 56 Cb -0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2kfs s VAL 56 CO 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 175.10 175.01 2kfs s ALA 57 N -0.97 0.64 0.29 5.51 0.00 -1.26 -4.57 121.76 121.39 2kfs s ALA 57 Ca 0.02 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.08 2kfs s ALA 57 Cb -0.09 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 2kfs s ALA 57 CO 0.02 -0.11 0.03 0.14 0.00 0.00 0.00 175.76 175.83 2kfs s VAL 58 N -2.14 1.15 -0.26 0.00 -7.23 0.22 -4.25 120.40 107.90 2kfs s VAL 58 Ca -0.04 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 2kfs s VAL 58 Cb -0.05 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2kfs s VAL 58 CO -0.02 -0.14 0.05 -0.60 -0.31 0.00 0.00 175.10 174.08 2kfs s ARG 59 N -3.87 3.37 -0.13 4.82 3.52 -1.24 -0.31 118.95 125.10 2kfs s ARG 59 Ca 0.33 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 2kfs s ARG 59 Cb 0.07 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 2kfs s ARG 59 CO 0.13 -0.29 -0.16 0.50 -0.81 0.00 0.00 175.30 174.67 2kfs s ARG 60 N 1.54 2.41 -1.22 5.12 3.52 0.14 -3.02 118.95 127.43 2kfs s ARG 60 Ca 0.05 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2kfs s ARG 60 Cb -0.16 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.16 2kfs s ARG 60 CO 0.01 -0.11 0.00 0.00 -0.81 0.00 0.00 175.30 174.39 2kfs n ALA 61 N 4.37 -0.17 0.00 6.12 0.00 -1.26 -0.34 120.51 129.22 2kfs n ALA 61 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kfs n ALA 61 Cb 0.51 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.16 1.13 3.87 0.00 0.00 -1.26 -5.07 105.19 103.70 2kfs n GLY 62 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.24 1.56 -0.27 -0.02 0.00 0.54 -5.06 107.32 101.83 2kfs s GLY 63 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 2kfs s GLY 63 CO 0.00 -1.23 0.30 0.14 0.00 0.00 0.00 173.10 172.31 2kfs s VAL 64 N -1.87 5.23 0.11 1.40 1.01 -1.26 0.23 120.40 125.25 2kfs s VAL 64 Ca 0.33 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.75 2kfs s VAL 64 Cb -0.10 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2kfs s VAL 64 CO 0.26 0.20 -0.09 0.68 0.00 0.00 0.00 175.10 176.15 2kfs s VAL 65 N 1.90 0.92 -0.17 2.92 -7.23 0.57 -4.71 120.40 114.61 2kfs s VAL 65 Ca 0.12 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2kfs s VAL 65 Cb -0.16 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2kfs s VAL 65 CO 0.10 -0.67 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.51 2kfs s ILE 66 N -2.89 3.34 0.18 -0.62 1.01 0.92 -0.61 121.20 122.53 2kfs s ILE 66 Ca 0.09 -0.54 -0.32 0.00 0.00 0.00 0.00 60.65 59.88 2kfs s ILE 66 Cb 0.00 -2.46 -0.12 0.00 0.01 0.00 0.00 42.46 39.89 2kfs s ILE 66 CO -0.01 0.48 1.74 -2.65 0.00 0.00 0.00 174.94 174.50 2kfs n PRO 67 N 3.96 2.72 0.25 2.79 -0.02 -1.26 0.21 135.00 143.64 2kfs n PRO 67 Ca -0.18 0.98 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 2kfs n PRO 67 Cb 0.52 -2.83 0.64 0.00 -0.02 0.00 0.00 33.50 31.80 2kfs n PRO 67 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kfs h GLN 68 N 7.14 0.00 0.00 -0.52 4.15 -1.48 -1.58 115.11 122.82 2kfs h GLN 68 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 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 0.95 0.16 0.00 1.33 -1.93 0.00 0.00 178.83 179.34 2kfs n VAL 69 N -3.65 0.89 1.26 2.39 0.24 -1.26 -1.09 118.33 117.11 2kfs n VAL 69 Ca -0.01 0.22 0.14 0.00 -2.04 0.00 0.00 64.34 62.65 2kfs n VAL 69 Cb 0.29 -1.00 0.62 0.00 -1.47 0.00 0.00 33.84 32.28 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 -1.40 0.00 -4.17 6.34 3.01 -0.59 -4.81 117.46 115.84 2kfs n PHE 70 Ca 0.05 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.27 2kfs n PHE 70 Cb 0.13 -0.31 -0.07 0.00 -0.01 0.00 0.00 39.48 39.23 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 -2.70 2.69 0.62 1.38 0.40 -0.25 -1.95 117.98 118.16 2kfs s PHE 71 Ca 0.23 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2kfs s PHE 71 Cb 0.20 -1.54 0.08 0.00 0.51 0.00 0.00 43.02 42.26 2kfs s PHE 71 CO 0.51 0.41 0.86 0.95 0.70 0.00 0.00 175.22 178.65 2kfs s THR 72 N -2.42 2.41 -0.10 0.64 -4.23 0.11 -4.77 115.64 107.29 2kfs s THR 72 Ca 0.36 -0.68 0.29 0.00 -1.18 0.00 0.00 61.69 60.48 2kfs s THR 72 Cb -0.03 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.39 2kfs s THR 72 CO 0.22 0.00 1.87 -1.13 -0.54 0.00 0.00 174.62 175.04 2kfs h ASN 73 N -0.14 0.00 0.72 3.99 -1.24 -1.94 -0.24 115.58 116.73 2kfs h ASN 73 Ca -0.38 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.63 2kfs h ASN 73 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2kfs h ASN 73 CO 0.46 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.40 2kfs n SER 74 N -2.59 0.00 0.00 1.15 7.64 -1.26 -4.90 113.62 113.66 2kfs n SER 74 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2kfs n SER 74 Cb 0.18 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.33 0.44 3.28 0.23 0.00 -0.10 -5.04 105.19 105.33 2kfs n GLY 75 Ca 0.11 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.11 1.13 0.46 1.61 -2.07 -1.26 -4.62 119.66 112.81 2kfs s GLN 76 Ca 0.00 -1.23 -0.24 0.00 -1.82 0.00 0.00 55.36 52.07 2kfs s GLN 76 Cb 0.00 -1.26 -0.07 0.00 -1.09 0.00 0.00 33.01 30.58 2kfs s GLN 76 CO 0.00 0.28 1.35 0.08 -1.32 0.00 0.00 175.29 175.68 2kfs s VAL 77 N -1.56 2.31 0.02 3.63 1.01 -1.26 0.09 120.40 124.65 2kfs s VAL 77 Ca 0.09 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 2kfs s VAL 77 Cb -0.08 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 2kfs s VAL 77 CO 0.05 0.03 1.84 -0.69 0.00 0.00 0.00 175.10 176.32 2kfs s VAL 78 N -1.27 3.12 0.27 2.92 1.01 -0.82 -4.72 120.40 120.91 2kfs s VAL 78 Ca 0.63 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 2kfs s VAL 78 Cb -0.40 -3.17 0.27 0.00 0.00 0.00 0.00 36.38 33.09 2kfs s VAL 78 CO 0.50 -0.02 1.90 0.50 0.00 0.00 0.00 175.10 177.98 2kfs h LYS 79 N 9.87 1.15 -0.17 2.72 1.63 -1.92 -1.67 116.57 128.19 2kfs h LYS 79 Ca -0.46 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 2kfs h LYS 79 Cb 1.22 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2kfs h LYS 79 CO 0.94 0.76 0.00 0.45 -3.45 0.00 0.00 179.45 178.16 2kfs n SER 80 N -4.47 2.17 -0.10 4.20 2.88 -1.26 -4.32 113.62 112.71 2kfs n SER 80 Ca 0.14 -1.76 -0.11 0.00 -1.33 0.00 0.00 58.87 55.81 2kfs n SER 80 Cb 0.15 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kfs h LEU 81 N 3.01 0.53 -2.32 2.46 6.46 -1.68 -3.17 115.31 120.59 2kfs h LEU 81 Ca 0.00 -0.31 0.02 0.00 -0.12 0.00 0.00 57.88 57.47 2kfs h LEU 81 Cb 0.65 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2kfs h LEU 81 CO 0.00 0.71 0.22 -0.65 -0.62 0.00 0.00 178.44 178.10 2kfs h PRO 82 N 0.33 0.00 -0.83 5.25 0.11 -1.75 -0.38 132.00 134.72 2kfs h PRO 82 Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2kfs h PRO 82 Cb 0.44 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 2kfs h PRO 82 CO 0.02 0.00 0.51 0.78 -0.21 0.00 0.00 178.00 179.09 2kfs h GLY 83 N 0.00 1.21 1.13 -0.55 0.00 -1.85 -0.60 103.07 102.41 2kfs h GLY 83 Ca 0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 2kfs h GLY 83 CO -0.00 0.48 -0.21 0.17 0.00 0.00 0.00 176.54 176.98 2kfs h LEU 84 N 1.14 1.02 -0.57 3.11 8.10 -1.23 -2.83 115.31 124.05 2kfs h LEU 84 Ca 0.30 -0.38 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 2kfs h LEU 84 Cb -0.05 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 39.86 2kfs h LEU 84 CO -0.06 1.18 0.33 -0.07 -4.11 0.00 0.00 178.44 175.71 2kfs h LEU 85 N 0.86 0.70 -0.35 0.17 3.38 -1.46 -2.14 115.31 116.46 2kfs h LEU 85 Ca 0.11 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2kfs h LEU 85 Cb 0.79 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2kfs h LEU 85 CO 0.07 0.58 0.16 0.74 0.09 0.00 0.00 178.44 180.07 2kfs h THR 86 N 0.77 0.95 -0.20 0.22 2.02 -0.87 0.20 112.91 116.00 2kfs h THR 86 Ca 0.20 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 2kfs h THR 86 Cb 0.02 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2kfs h THR 86 CO -0.04 0.06 -0.08 -0.29 0.37 0.00 0.00 175.52 175.55 2kfs h ILE 87 N 0.33 1.30 -0.44 3.11 -0.00 -1.37 -2.76 117.51 117.68 2kfs h ILE 87 Ca 0.15 -1.11 -0.11 0.00 -0.00 0.00 0.00 64.86 63.79 2kfs h ILE 87 Cb 0.09 1.62 -0.02 0.00 -0.00 0.00 0.00 36.82 38.51 2kfs h ILE 87 CO -0.13 0.34 -0.16 -0.07 -0.00 0.00 0.00 178.15 178.13 2kfs h LEU 88 N 0.10 0.84 -0.51 2.19 -0.00 -1.09 -0.77 115.31 116.08 2kfs h LEU 88 Ca 0.05 -0.28 0.01 0.00 -0.00 0.00 0.00 57.88 57.65 2kfs h LEU 88 Cb 0.55 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 2kfs h LEU 88 CO 0.03 1.00 0.34 0.45 -0.00 0.00 0.00 178.44 180.25 2kfs h HIS 89 N 0.74 0.64 0.00 1.13 3.86 -0.62 -0.69 115.15 120.21 2kfs h HIS 89 Ca 0.11 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 2kfs h HIS 89 Cb 0.67 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2kfs h HIS 89 CO 0.04 0.40 -0.41 0.22 0.86 0.00 0.00 177.93 179.04 2kfs h ASP 90 N 0.69 0.00 0.95 2.45 3.58 -1.35 -2.69 116.42 120.05 2kfs h ASP 90 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2kfs h ASP 90 Cb -0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2kfs h ASP 90 CO -0.04 0.41 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 2kfs n GLY 91 N 0.07 -1.48 1.04 -0.78 0.00 -0.31 -4.92 105.19 98.82 2kfs n GLY 91 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.75 3.49 -0.02 0.00 -0.36 -5.05 105.19 105.48 2kfs n GLY 92 Ca 0.08 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.72 2.74 0.65 1.61 1.51 -0.67 -5.05 117.35 115.43 2kfs s TYR 93 Ca 0.00 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2kfs s TYR 93 Cb 0.00 -1.66 0.07 0.00 -0.11 0.00 0.00 41.96 40.26 2kfs s TYR 93 CO 0.00 0.18 0.92 -0.98 -1.11 0.00 0.00 175.55 174.57 2kfs s ARG 94 N -0.67 2.16 0.21 -0.62 1.70 -1.26 -4.57 118.95 115.89 2kfs s ARG 94 Ca 0.10 -0.68 -0.09 0.00 -0.47 0.00 0.00 55.73 54.59 2kfs s ARG 94 Cb -0.11 -2.33 0.28 0.00 -0.57 0.00 0.00 34.95 32.23 2kfs s ARG 94 CO 0.01 -1.12 1.75 0.38 -1.08 0.00 0.00 175.30 175.24 2kfs h ASP 95 N -0.35 0.27 -0.63 -2.89 2.03 -1.92 -0.41 116.42 112.52 2kfs h ASP 95 Ca -0.42 0.07 -0.06 0.00 -0.73 0.00 0.00 57.03 55.89 2kfs h ASP 95 Cb 1.29 0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.81 2kfs h ASP 95 CO 0.51 0.16 0.15 0.74 -1.03 0.00 0.00 179.24 179.78 2kfs h THR 96 N 0.45 1.26 -0.55 1.15 2.02 -1.92 -2.34 112.91 112.97 2kfs h THR 96 Ca 0.31 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 2kfs h THR 96 Cb 0.36 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2kfs h THR 96 CO -0.29 0.35 -0.03 -0.33 0.37 0.00 0.00 175.52 175.59 2kfs h GLU 97 N 0.93 0.96 -0.27 6.66 5.08 -1.57 -0.65 114.58 125.72 2kfs h GLU 97 Ca 0.20 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2kfs h GLU 97 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2kfs h GLU 97 CO 0.00 0.96 0.16 0.82 -1.00 0.00 0.00 179.01 179.96 2kfs h ILE 98 N 0.87 1.09 0.00 3.13 1.08 -0.78 -2.06 117.51 120.85 2kfs h ILE 98 Ca 0.16 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2kfs h ILE 98 Cb 0.55 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2kfs h ILE 98 CO 0.03 0.09 0.00 0.24 -0.69 0.00 0.00 178.15 177.82 2kfs h MET 99 N 0.34 0.00 0.43 2.37 2.86 -1.19 -2.73 114.93 117.01 2kfs h MET 99 Ca 0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2kfs h MET 99 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2kfs h MET 99 CO -0.02 0.00 -0.29 -0.09 1.06 0.00 0.00 176.91 177.58 2kfs h ARG 100 N 0.00 -0.65 -0.09 1.72 2.43 -0.36 0.50 114.38 117.92 2kfs h ARG 100 Ca 0.00 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2kfs h ARG 100 Cb 0.66 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2kfs h ARG 100 CO 0.00 -0.43 -0.45 0.11 -1.51 0.00 0.00 179.97 177.68 2kfs h TRP 101 N -0.67 0.27 -0.52 2.20 5.08 -1.63 -2.81 115.95 117.86 2kfs h TRP 101 Ca -0.06 -0.08 -0.10 0.00 1.08 0.00 0.00 58.89 59.73 2kfs h TRP 101 Cb 0.55 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.63 2kfs h TRP 101 CO -0.04 0.64 -0.07 -0.07 -1.28 0.00 0.00 178.44 177.61 2kfs h LEU 102 N 0.18 0.93 -2.62 0.11 3.38 -1.42 -3.13 115.31 112.74 2kfs h LEU 102 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kfs h LEU 102 Cb 0.88 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kfs h LEU 102 CO 0.07 1.03 0.00 0.49 0.09 0.00 0.00 178.44 180.12 2kfs n PHE 103 N -4.16 1.01 -3.04 1.13 3.01 0.16 -1.71 117.46 113.85 2kfs n PHE 103 Ca 0.02 -0.48 -0.41 0.00 1.01 0.00 0.00 57.45 57.59 2kfs n PHE 103 Cb 0.37 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 2kfs n PHE 103 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2kfs s THR 104 N -1.19 4.96 0.26 4.37 -1.32 -1.06 -4.97 115.64 116.68 2kfs s THR 104 Ca 0.47 1.31 -0.30 0.00 -1.21 0.00 0.00 61.69 61.96 2kfs s THR 104 Cb 0.25 -4.00 -0.10 0.00 -1.51 0.00 0.00 72.50 67.15 2kfs s THR 104 CO 0.30 0.04 1.31 -2.16 -2.21 0.00 0.00 174.62 171.90 2kfs s PRO 105 N 2.26 4.39 -0.33 7.08 0.04 -1.26 -4.23 135.00 142.95 2kfs s PRO 105 Ca 0.31 2.12 -0.08 0.00 0.04 0.00 0.00 61.00 63.38 2kfs s PRO 105 Cb -0.16 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2kfs s PRO 105 CO 0.10 -0.21 0.13 0.34 0.04 0.00 0.00 177.00 177.40 2kfs s ASP 106 N -0.04 5.40 0.44 6.66 -1.08 -0.82 -4.97 116.67 122.26 2kfs s ASP 106 Ca 0.53 -0.85 0.30 0.00 -0.52 0.00 0.00 52.55 52.02 2kfs s ASP 106 Cb -0.38 -1.94 1.60 0.00 -1.46 0.00 0.00 42.92 40.75 2kfs s ASP 106 CO 0.44 -0.27 1.92 1.55 0.52 0.00 0.00 175.17 179.33 2kfs h PRO 107 N 8.30 0.00 -0.14 4.34 0.13 -1.93 -1.74 132.00 140.96 2kfs h PRO 107 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2kfs h PRO 107 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kfs h PRO 107 CO 0.62 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.82 2kfs n SER 108 N -2.57 2.37 -4.60 1.44 7.64 -1.26 -4.59 113.62 112.05 2kfs n SER 108 Ca -0.02 -1.68 -0.36 0.00 1.01 0.00 0.00 58.87 57.83 2kfs n SER 108 Cb 0.07 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.03 3.86 -0.19 -3.43 2.96 -0.65 -4.96 118.68 115.23 2kfs s LEU 109 Ca 0.18 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2kfs s LEU 109 Cb 0.12 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2kfs s LEU 109 CO 0.16 0.07 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.24 2kfs s THR 110 N 0.99 2.64 0.10 3.68 2.01 -1.26 0.02 115.64 123.83 2kfs s THR 110 Ca 0.06 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.38 2kfs s THR 110 Cb -0.14 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2kfs s THR 110 CO 0.03 0.49 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 2kfs s ILE 111 N 1.30 1.59 -0.15 1.82 1.01 -0.17 -4.92 121.20 121.67 2kfs s ILE 111 Ca 0.04 -1.53 -0.21 0.00 0.00 0.00 0.00 60.65 58.95 2kfs s ILE 111 Cb -0.14 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2kfs s ILE 111 CO -0.08 -0.13 0.60 0.42 0.00 0.00 0.00 174.94 175.76 2kfs s THR 112 N -1.29 5.07 0.26 2.92 -4.23 -1.26 0.36 115.64 117.47 2kfs s THR 112 Ca 0.06 1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 61.61 2kfs s THR 112 Cb -0.09 -3.93 -0.08 0.00 1.34 0.00 0.00 72.50 69.74 2kfs s THR 112 CO 0.04 0.20 0.63 -0.60 -0.54 0.00 0.00 174.62 174.35 2kfs s ARG 113 N 1.36 3.91 0.54 3.99 3.52 -0.47 -4.84 118.95 126.96 2kfs s ARG 113 Ca 0.29 0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 56.20 2kfs s ARG 113 Cb -0.16 -2.58 -0.06 0.00 -1.56 0.00 0.00 34.95 30.59 2kfs s ARG 113 CO 0.12 0.26 1.02 0.34 -0.81 0.00 0.00 175.30 176.23 2kfs s ASP 114 N -2.26 6.27 0.00 -2.12 2.15 -1.26 -3.63 116.67 115.83 2kfs s ASP 114 Ca 0.49 1.72 0.00 0.00 0.43 0.00 0.00 52.55 55.20 2kfs s ASP 114 Cb -0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2kfs s ASP 114 CO 0.19 -0.83 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 2kfs n GLY 115 N -1.11 2.26 0.00 2.66 0.00 -1.26 -4.87 105.19 102.87 2kfs n GLY 115 Ca 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2kfs n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfs n SER 116 N 2.82 0.00 0.00 1.61 3.41 -1.24 -5.03 113.62 115.19 2kfs n SER 116 Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2kfs n SER 116 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kfs n SER 116 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kfs n ARG 117 N -0.92 0.62 -3.49 4.33 0.00 -1.25 -4.76 116.66 111.19 2kfs n ARG 117 Ca 0.00 -0.68 -0.33 0.00 -0.00 0.00 0.00 57.85 56.84 2kfs n ARG 117 Cb 0.00 -0.62 -0.05 0.00 -0.00 0.00 0.00 32.46 31.79 2kfs n ARG 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kfs s ASP 118 N -0.22 6.65 -0.10 2.89 1.11 -1.26 -4.82 116.67 120.91 2kfs s ASP 118 Ca 0.00 0.86 -0.22 0.00 0.18 0.00 0.00 52.55 53.37 2kfs s ASP 118 Cb 0.00 -2.20 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 2kfs s ASP 118 CO 0.00 0.05 0.65 0.00 1.18 0.00 0.00 175.17 177.05 2kfs s ALA 119 N -1.61 3.41 -0.14 5.23 0.00 -1.26 -1.37 121.76 126.02 2kfs s ALA 119 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2kfs s ALA 119 Cb -0.13 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2kfs s ALA 119 CO 0.21 -0.18 -0.14 0.08 0.00 0.00 0.00 175.76 175.72 2kfs s VAL 120 N 1.02 2.85 0.14 0.00 1.01 0.16 -4.93 120.40 120.64 2kfs s VAL 120 Ca 0.34 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 2kfs s VAL 120 Cb -0.17 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2kfs s VAL 120 CO 0.15 0.52 0.67 -0.94 0.00 0.00 0.00 175.10 175.49 2kfs s SER 121 N 0.60 7.16 -0.41 3.32 1.04 -1.26 -1.00 113.70 123.14 2kfs s SER 121 Ca -0.08 1.41 -0.00 0.00 0.48 0.00 0.00 55.95 57.75 2kfs s SER 121 Cb -0.16 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2kfs s SER 121 CO 0.03 0.20 0.39 -3.20 0.98 0.00 0.00 173.24 171.64 2kfs n ASN 122 N 1.43 -5.29 -4.89 7.02 5.15 0.10 -4.98 115.26 113.81 2kfs n ASN 122 Ca -0.07 -0.02 -0.23 0.00 -0.60 0.00 0.00 54.58 53.65 2kfs n ASN 122 Cb 0.50 -3.45 -0.02 0.00 -0.53 0.00 0.00 39.78 36.29 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfs s ALA 123 N -2.94 4.25 0.08 5.20 0.00 -1.22 -4.75 121.76 122.37 2kfs s ALA 123 Ca 0.01 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.35 2kfs s ALA 123 Cb -0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2kfs s ALA 123 CO 0.43 -0.38 0.12 1.03 0.00 0.00 0.00 175.76 176.95 2kfs s ARG 124 N -4.23 3.02 0.44 0.00 3.00 -1.26 -1.94 118.95 117.98 2kfs s ARG 124 Ca 0.42 -0.65 0.19 0.00 0.00 0.00 0.00 55.73 55.69 2kfs s ARG 124 Cb -0.02 -2.80 1.13 0.00 0.00 0.00 0.00 34.95 33.26 2kfs s ARG 124 CO 0.25 0.57 1.88 -1.35 0.00 0.00 0.00 175.30 176.65 2kfs h PRO 125 N 3.15 0.34 -0.48 3.54 0.11 -1.69 0.11 132.00 137.07 2kfs h PRO 125 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2kfs h PRO 125 Cb 1.17 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2kfs h PRO 125 CO 0.68 0.22 0.15 0.28 -0.21 0.00 0.00 178.00 179.12 2kfs h VAL 126 N 0.35 1.23 -0.04 3.15 2.07 -1.67 -0.19 116.25 121.15 2kfs h VAL 126 Ca 0.43 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 2kfs h VAL 126 Cb 1.12 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2kfs h VAL 126 CO -0.14 0.28 -0.38 -0.78 0.02 0.00 0.00 177.57 176.57 2kfs h ASP 127 N 0.64 0.08 -0.30 0.57 3.58 -1.38 -1.82 116.42 117.79 2kfs h ASP 127 Ca 0.15 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2kfs h ASP 127 Cb 0.28 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2kfs h ASP 127 CO -0.00 0.46 0.01 0.00 -2.88 0.00 0.00 179.24 176.83 2kfs h ALA 128 N 1.54 0.41 -0.15 -0.78 0.00 -0.41 -1.09 119.26 118.78 2kfs h ALA 128 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2kfs h ALA 128 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kfs h ALA 128 CO 0.05 0.14 -0.41 1.37 0.00 0.00 0.00 179.25 180.41 2kfs h LEU 129 N 0.33 0.36 -1.45 0.00 8.10 -0.72 0.25 115.31 122.17 2kfs h LEU 129 Ca 0.09 -0.15 -0.06 0.00 0.11 0.00 0.00 57.88 57.87 2kfs h LEU 129 Cb 0.42 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 2kfs h LEU 129 CO 0.01 0.73 -0.28 -0.74 -4.11 0.00 0.00 178.44 174.06 2kfs h HIS 130 N 0.28 0.00 -0.56 0.17 2.76 -1.20 -1.86 115.15 114.74 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 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 2kfs h HIS 130 CO 0.02 0.28 0.00 0.00 -1.30 0.00 0.00 177.93 176.93 2kfs n ALA 131 N -2.43 2.95 -2.15 5.26 0.00 -0.42 -4.78 120.51 118.93 2kfs n ALA 131 Ca -0.02 -1.30 -0.19 0.00 0.00 0.00 0.00 53.44 51.93 2kfs n ALA 131 Cb 0.34 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 0.96 -0.67 -1.20 0.00 -0.00 -0.70 -4.83 115.22 108.78 2kfs n HIS 132 Ca 0.22 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.40 2kfs n HIS 132 Cb 0.75 -3.56 0.23 0.00 -0.12 0.00 0.00 29.99 27.29 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 -2.72 2.48 0.06 1.57 6.02 0.79 -4.66 117.38 120.92 2kfs n GLN 133 Ca -0.22 -3.01 0.21 0.00 -0.01 0.00 0.00 57.00 53.98 2kfs n GLN 133 Cb 0.66 -1.87 0.73 0.00 1.02 0.00 0.00 30.24 30.78 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 1.47 2.21 -0.90 -1.58 0.00 -1.79 -2.98 119.26 115.70 2kfs h ALA 134 Ca 0.14 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2kfs h ALA 134 Cb 1.66 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 2kfs h ALA 134 CO 0.37 -0.72 0.54 0.00 0.00 0.00 0.00 179.25 179.45 2kfs h ARG 135 N 0.00 0.89 -0.26 0.00 3.08 -1.92 0.19 114.38 116.36 2kfs h ARG 135 Ca 0.22 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2kfs h ARG 135 Cb 1.17 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2kfs h ARG 135 CO -0.00 0.59 -0.34 0.93 -1.07 0.00 0.00 179.97 180.08 2kfs h GLU 136 N 0.91 0.56 -0.47 0.04 4.39 -1.94 -2.08 114.58 115.99 2kfs h GLU 136 Ca 0.43 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 2kfs h GLU 136 Cb 0.35 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2kfs h GLU 136 CO -0.23 0.82 0.01 0.28 -1.16 0.00 0.00 179.01 178.73 2kfs h VAL 137 N 0.47 1.26 -0.28 3.13 2.07 -1.08 0.22 116.25 122.04 2kfs h VAL 137 Ca 0.05 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2kfs h VAL 137 Cb 0.81 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2kfs h VAL 137 CO 0.07 0.36 0.16 0.58 0.02 0.00 0.00 177.57 178.76 2kfs h VAL 138 N 0.68 1.12 -0.69 2.57 2.07 -0.56 0.52 116.25 121.97 2kfs h VAL 138 Ca 0.14 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2kfs h VAL 138 Cb 0.49 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2kfs h VAL 138 CO 0.02 0.12 0.21 -0.09 0.02 0.00 0.00 177.57 177.85 2kfs h ARG 139 N 0.34 1.06 -0.55 1.57 2.43 -1.11 -0.46 114.38 117.66 2kfs h ARG 139 Ca 0.10 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2kfs h ARG 139 Cb 0.06 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2kfs h ARG 139 CO -0.02 0.91 0.23 -0.09 -1.51 0.00 0.00 179.97 179.49 2kfs h ARG 140 N 1.02 0.79 -0.19 0.20 1.12 -0.16 -0.09 114.38 117.06 2kfs h ARG 140 Ca 0.22 -0.11 -0.05 0.00 -1.11 0.00 0.00 59.98 58.93 2kfs h ARG 140 Cb 0.30 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 2kfs h ARG 140 CO -0.01 0.64 -0.06 0.00 -3.11 0.00 0.00 179.97 177.44 2kfs h ALA 141 N 1.47 0.26 -0.16 2.80 0.00 -0.13 -0.31 119.26 123.18 2kfs h ALA 141 Ca 0.19 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kfs h ALA 141 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kfs h ALA 141 CO -0.02 0.05 0.00 1.96 0.00 0.00 0.00 179.25 181.25 2kfs h GLN 142 N 0.08 0.06 0.00 0.00 4.20 -0.57 -0.59 115.11 118.30 2kfs h GLN 142 Ca 0.05 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2kfs h GLN 142 Cb 0.51 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2kfs h GLN 142 CO 0.02 0.04 -0.28 0.00 -0.67 0.00 0.00 178.83 177.94 2kfs h ALA 143 N 1.14 1.26 0.00 3.87 0.00 -1.00 0.19 119.26 124.71 2kfs h ALA 143 Ca 0.08 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 2kfs h ALA 143 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kfs h ALA 143 CO -0.12 0.35 -0.81 1.98 0.00 0.00 0.00 179.25 180.64 2kfs h MET 144 N 0.00 0.00 0.02 0.00 -1.53 -0.39 -3.35 114.93 109.68 2kfs h MET 144 Ca -0.00 0.00 -0.28 0.00 -3.44 0.00 0.00 59.70 55.97 2kfs h MET 144 Cb 0.60 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.61 2kfs h MET 144 CO 0.04 0.81 -1.55 0.00 0.14 0.00 0.00 176.91 176.35 2kfs n ALA 145 N -2.35 0.86 -0.04 0.39 0.00 -0.29 -5.07 120.51 114.01 2kfs n ALA 145 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2kfs n ALA 145 Cb 0.81 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2kfs n ALA 145 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16